SCHEMBL6808017

SCHEMBL6808017

CC(C)N(CCOc1ccc(C(N)=O)c(Cl)c1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.44
LTA4H P09960 1/20 0.44
MCHR1 Q99705 4/20 0.43
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MAOB P27338 1/20 0.40
CYP2C9 P11712 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6808019 0.79 LTA4H (0.49) ESR1ESR2LTA4HMCHR1ACHE
SCHEMBL9198133 0.79 SIRT2 (0.51) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL4687865 0.79 SMN1; SMN2 (0.44) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL4689627 0.77 THRB (0.46) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL6802598 0.77 ESR1 (0.62) ESR1ESR2LTA4HMCHR1
SCHEMBL4689621 0.77 PARP1 (0.46) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL6807144 0.77 MCHR1 (0.43) MCHR1ALDH1A1
SCHEMBL13617723 0.77 THRB (0.65) THRATHRBMEN1KMT2A
SCHEMBL4742483 0.76 THRB (0.45) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL2104774 0.75 PARP10 (0.56) ALDH1A1KMT2AJAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor JOHNSON CHRISTOPHER NORBERT (GB) 2004-04-01 US disclosed
EP-1305304-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM PLC (GB) 2003-05-02 EP disclosed
WO-2002010146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor CNR1, GPR3, CCKAR ESR1 368/4885ESR2 395/4885THRA 167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.